Stefano Alcaro

Publication Activity (10 Years)

Years Active: 2000-2024
Publications (10 Years): 5

Top Topics

Virtual Screening

Chemical Compounds

Similarity Searching

Computational Approaches

Top Venues

J. Chem. Inf. Model.

Publications

Lisa Lombardo, Salvatore Mirabile, Rosaria Gitto, Giuseppe Cosentino, Stefano Alcaro, Maria Dichiara, Agostino Marrazzo, Emanuele Amata, Francesco Ortuso, Laura De Luca
Exploring Structural Requirements for Sigma-1 Receptor Linear Ligands: Experimental and Computational Approaches. J. Chem. Inf. Model. 64 (14) (2024)
Francesca Alessandra Ambrosio, Giosuè Costa, Isabella Romeo, Francesca Esposito, Mohammad Alkhatib, Romina Salpini, Valentina Svicher, Angela Corona, Paolo Malune, Enzo Tramontano, Francesca Ceccherini-Silberstein, Stefano Alcaro, Anna Artese
Drug Repurposing Approach. J. Chem. Inf. Model. 63 (11) (2023)
Giuseppe Tradigo, Francesca Cristiano, Stefano Alcaro, Sergio Greco, Gianluca Pollastri, Pierangelo Veltri, Mattia C. F. Prosperi
G-quadruplex Structure Prediction and integration in the GenData2020 data model. BCB (2016)
Teresa Kaserer, Riccardo Rigo, Philipp Schuster, Stefano Alcaro, Claudia Sissi, Daniela Schuster
Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands. J. Chem. Inf. Model. 56 (3) (2016)
Francesca Spyrakis, Paolo Benedetti, Sergio Decherchi, Walter Rocchia, Andrea Cavalli, Stefano Alcaro, Francesco Ortuso, Massimo Baroni, Gabriele Cruciani
A Pipeline To Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins. J. Chem. Inf. Model. 55 (10) (2015)
Francesco Ortuso, Rosario Amato, Anna Artese, Lucia D'antona, Giosuè Costa, Cristina Talarico, Francesco Gigliotti, Cataldo Bianco, Francesco Trapasso, Silvia Schenone, Francesca Musumeci, Lorenzo Botta, Nicola Perrotti, Stefano Alcaro
In Silico Identification and Biological Evaluation of Novel Selective Serum/Glucocorticoid-Inducible Kinase 1 Inhibitors Based on the Pyrazolo-Pyrimidine Scaffold. J. Chem. Inf. Model. 54 (7) (2014)
Stefano Alcaro, Sandro Giuseppe Chiodo, Monica Leopoldini, Francesco Ortuso
Antioxidant Efficiency of Oxovitisin, a New Class of Red Wine Pyranoanthocyanins, Revealed through Quantum Mechanical Investigations. J. Chem. Inf. Model. 53 (1) (2013)
Mengjie Chen, Valentina Svicher, Anna Artese, Giosuè Costa, Claudia Alteri, Francesco Ortuso, Lucia Parrotta, Yang Liu, Chang Liu, Carlo-Federico Perno, Stefano Alcaro, Jing Zhang
Detecting and understanding genetic and structural features in HIV-1 B subtype V3 underlying HIV-1 co-receptor usage. Bioinform. 29 (4) (2013)
Stefano Alcaro, Adriana Bolasco, Roberto Cirilli, Rosella Ferretti, Rossella Fioravanti, Francesco Ortuso
Computer-Aided Molecular Design of Asymmetric Pyrazole Derivatives with Exceptional Enantioselective Recognition toward the Chiralcel OJ-H Stationary Phase. J. Chem. Inf. Model. 52 (3) (2012)
Simon Cross, Francesco Ortuso, Massimo Baroni, Giosuè Costa, Simona Distinto, Federica Moraca, Stefano Alcaro, Gabriele Cruciani
GRID-Based Three-Dimensional Pharmacophores II: PharmBench, a Benchmark Data Set for Evaluating Pharmacophore Elucidation Methods. J. Chem. Inf. Model. 52 (10) (2012)
Stefano Alcaro, Anna Artese, Francesca Ceccherini-Silberstein, Francesco Ortuso, Carlo-Federico Perno, Tobias Sing, Valentina Svicher
Molecular Dynamics and Free Energy Studies on the Wild-Type and Mutated HIV-1 Protease Complexed with Four Approved Drugs: Mechanism of Binding and Drug Resistance. J. Chem. Inf. Model. 49 (7) (2009)
Stefano Alcaro, Francesco Gasparrini, O. Incani, L. Caglioti, Marco Pierini, Claudio Villani
H-NMR NOE correlation. J. Comput. Chem. 28 (6) (2007)
Francesco Ortuso, Thierry Langer, Stefano Alcaro
GBPM: GRID-based pharmacophore model: concept and application studies to protein-protein recognition. Bioinform. 22 (12) (2006)
Stefano Alcaro, Francesco Ortuso, Robert S. Coleman
Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold. J. Chem. Inf. Model. 45 (3) (2005)
Stefano Alcaro, Francesco Gasparrini, O. Incani, S. Mecucci, D. Misiti, Marco Pierini, Claudio Villani
A quasi-flexible automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validation. J. Comput. Chem. 21 (7) (2000)